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Experimental and theoretical investigation of the electronic absorption spectra of 2-H(methyl, methylthio, phenyl)-3,4-dihydro-4-quinazolinylidenecyanoacetic ester

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Abstract

The effect of substituents (Me, SMe, Ph) in position 2 has been studied on the nature of the absorption bands of 2-H-3,4-dihydro-4-quinazolinylidenecyanoacetic esters and a very high sensitivity on the substituent has been detected for the short wave maxima. On the basis of data calculated by the ZINDO/S method the featureless long-wave absorption band was assigned to an electronic transition from HOMO to LUMO caused by charge transfer from fragments of the benzene ring and the N=C—N bond to the >C=C—C=O fragment.

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Authors and Affiliations

  1. S. Yu. Yunusov Institute of Chemistry of Plant Substances, Uzbek Academy of Sciences, Republic of Uzbekistan, Tashkent, 700170

    A. G. Eshimbetov, M. A. Tulyasheva, E. L. Kristallovich, N. D. Abdullaev & Kh. M. Shakhidoyatov

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  1. A. G. Eshimbetov
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  2. M. A. Tulyasheva
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  3. E. L. Kristallovich
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  4. N. D. Abdullaev
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  5. Kh. M. Shakhidoyatov
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Dedicated to Professor L. I. Belen’kii on his 75th birthday.

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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 2, pp. 227–232, February, 2006.

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Eshimbetov, A.G., Tulyasheva, M.A., Kristallovich, E.L. et al. Experimental and theoretical investigation of the electronic absorption spectra of 2-H(methyl, methylthio, phenyl)-3,4-dihydro-4-quinazolinylidenecyanoacetic ester. Chem Heterocycl Compd 42, 200–205 (2006). https://doi.org/10.1007/s10593-006-0072-8

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  • DOI: https://doi.org/10.1007/s10593-006-0072-8

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